CID 3085680

Ethyl 3-(2,5-dimethoxyphenyl)propanoate

Structural Information

Molecular Formula
C13H18O4
SMILES
CCOC(=O)CCC1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C13H18O4/c1-4-17-13(14)8-5-10-9-11(15-2)6-7-12(10)16-3/h6-7,9H,4-5,8H2,1-3H3
InChIKey
XBOHFGDUPHTTGX-UHFFFAOYSA-N
Compound name
ethyl 3-(2,5-dimethoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

238.12051 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.127786 152.7
[M+Na]+ 261.109728 160.2
[M-H]- 237.113234 156.5
[M+NH4]+ 256.154333 170.9
[M+K]+ 277.083668 159.5
[M+H-H2O]+ 221.117770 146.3
[M+HCOO]- 283.118711 176.1
[M+CH3COO]- 297.134361 193.1
[M+Na-2H]- 259.095176 156.3
[M]+ 238.11996142 159.3
[M]- 238.12105858 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe